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583-59-5

583-59-5 structural image
Product Name: 2-Methylcyclohexanol
Formula: C7H14O
Synonyms: Hexahydro-o-cresol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Boiling Point 325.4 to 330.8 °F at 760 mmHg (USCG, 1999)
Melting Point less than -6 °F (USCG, 1999)
Flash Point 138 °F (USCG, 1999)
Solubility Solubility in water: poor
Density 0.93 (USCG, 1999) - Less dense than water; will float
Vapor Density Relative vapor density (air = 1): 3.9
LogP 1.84
Autoignition Temperature 565 °F (USCG, 1999)
Kovats Retention Index 941 941

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H332:Acute toxicity,inhalation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.

COMPUTED DESCRIPTORS

Molecular Weight 114.19 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 114.104465066 g/mol
Monoisotopic Mass 114.104465066 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 70.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)